4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide

C21H24N2O2S — CID 3327671

IUPAC4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O2S/c1-2-13-22-20(25)17-8-10-18(11-9-17)21-23(19(24)15-26-21)14-12-16-6-4-3-5-7-16/h3-11,21H,2,12-15H2,1H3,(H,22,25)
InChIKeyQXGNNQBRXNALCC-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.64
Rot. Bonds7

About 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide

4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide (PubChem CID 3327671) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide
PubChem CID3327671
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O2S/c1-2-13-22-20(25)17-8-10-18(11-9-17)21-23(19(24)15-26-21)14-12-16-6-4-3-5-7-16/h3-11,21H,2,12-15H2,1H3,(H,22,25)
InChIKeyQXGNNQBRXNALCC-UHFFFAOYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide?
The IUPAC name of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide (CID 3327671) is 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide.
What is the SMILES notation for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide?
The canonical SMILES for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide is CCCNC(=O)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide?
The InChIKey is QXGNNQBRXNALCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-2-13-22-20(25)17-8-10-18(11-9-17)21-23(19(24)15-26-21)14-12-16-6-4-3-5-7-16/h3-11,21H,2,12-15H2,1H3,(H,22,25).
What are the key properties of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide?
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide has a molecular weight of 368.50 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-propylbenzamide is sourced from PubChem (CID 3327671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).